#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4z n GLY -19 N 0.00 2.06 3.70 -5.12 0.00 -1.26 -5.13 105.19 99.45 2k4z n GLY -19 Ca 0.00 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 2k4z n GLY -19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k4z s SER -18 N 0.00 7.27 0.10 1.61 0.15 -1.26 -4.93 113.70 116.63 2k4z s SER -18 Ca 0.00 1.54 0.15 0.00 0.70 0.00 0.00 55.95 58.35 2k4z s SER -18 Cb 0.00 -2.54 -0.11 0.00 -1.71 0.00 0.00 66.02 61.66 2k4z s SER -18 CO 0.00 -0.30 0.95 0.28 1.20 0.00 0.00 173.24 175.37 2k4z h SER -17 N 6.91 0.00 -3.22 5.45 0.02 -2.11 -3.46 113.55 117.15 2k4z h SER -17 Ca -0.37 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.00 2k4z h SER -17 Cb 1.19 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 2k4z h SER -17 CO 0.78 0.63 -0.06 -1.38 -1.14 0.00 0.00 176.83 175.67 2k4z s HIS -16 N -2.88 3.77 -0.15 3.45 -0.00 -1.26 -5.07 115.29 113.15 2k4z s HIS -16 Ca -0.02 1.22 -0.04 0.00 -0.00 0.00 0.00 55.06 56.22 2k4z s HIS -16 Cb 0.08 -2.46 -0.03 0.00 -0.00 0.00 0.00 32.58 30.17 2k4z s HIS -16 CO 0.80 0.58 0.00 -1.01 -0.00 0.00 0.00 174.74 175.11 2k4z s HIS -15 N -1.15 3.12 0.02 0.38 3.76 -1.26 -5.00 115.29 115.16 2k4z s HIS -15 Ca 0.29 -0.08 -0.02 0.00 -0.15 0.00 0.00 55.06 55.11 2k4z s HIS -15 Cb -0.19 -1.96 -0.27 0.00 1.11 0.00 0.00 32.58 31.28 2k4z s HIS -15 CO 0.18 0.13 0.94 1.25 -0.85 0.00 0.00 174.74 176.39 2k4z h HIS -14 N 6.36 0.40 -3.03 1.40 2.76 -2.00 -3.45 115.15 117.58 2k4z h HIS -14 Ca -0.37 -0.29 -0.54 0.00 -2.20 0.00 0.00 60.37 56.97 2k4z h HIS -14 Cb 1.18 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.13 2k4z h HIS -14 CO 0.56 1.31 0.72 -1.58 -1.30 0.00 0.00 177.93 177.64 2k4z s HIS -13 N -2.63 3.12 -0.55 5.26 5.65 -1.26 -4.96 115.29 119.92 2k4z s HIS -13 Ca -0.07 1.05 -0.24 0.00 0.25 0.00 0.00 55.06 56.05 2k4z s HIS -13 Cb 0.07 -3.55 0.04 0.00 -1.18 0.00 0.00 32.58 27.96 2k4z s HIS -13 CO 0.85 -1.88 0.95 -1.01 -0.65 0.00 0.00 174.74 173.00 2k4z s HIS -12 N 1.88 2.79 -0.14 3.88 4.02 -1.26 -4.85 115.29 121.60 2k4z s HIS -12 Ca 0.61 0.00 -0.18 0.00 1.02 0.00 0.00 55.06 56.51 2k4z s HIS -12 Cb -0.30 -4.08 -0.24 0.00 -1.02 0.00 0.00 32.58 26.94 2k4z s HIS -12 CO 0.26 -1.35 0.44 1.25 1.02 0.00 0.00 174.74 176.36 2k4z h HIS -11 N 9.31 0.25 -3.16 1.40 -0.00 -1.96 -3.43 115.15 117.56 2k4z h HIS -11 Ca -0.26 -0.18 -0.60 0.00 -0.00 0.00 0.00 60.37 59.33 2k4z h HIS -11 Cb 1.07 -0.01 -0.40 0.00 -0.00 0.00 0.00 27.41 28.07 2k4z h HIS -11 CO 0.91 1.51 -0.75 -1.54 -0.00 0.00 0.00 177.93 178.06 2k4z s SER -10 N -6.89 4.01 0.02 3.26 1.04 -1.26 -5.12 113.70 108.76 2k4z s SER -10 Ca -0.23 -1.91 -0.07 0.00 0.48 0.00 0.00 55.95 54.22 2k4z s SER -10 Cb 0.04 -0.97 -0.05 0.00 0.10 0.00 0.00 66.02 65.14 2k4z s SER -10 CO 0.70 -0.38 0.29 -0.55 0.98 0.00 0.00 173.24 174.28 2k4z s SER -9 N 1.26 6.51 0.24 7.02 0.15 -1.26 -4.98 113.70 122.64 2k4z s SER -9 Ca 0.12 0.58 0.24 0.00 0.70 0.00 0.00 55.95 57.59 2k4z s SER -9 Cb -0.19 -2.10 0.34 0.00 -1.71 0.00 0.00 66.02 62.36 2k4z s SER -9 CO -0.18 0.23 1.41 1.23 1.20 0.00 0.00 173.24 177.13 2k4z h GLY -8 N 3.87 0.00 -7.01 9.45 0.00 -2.02 -3.43 103.07 103.93 2k4z h GLY -8 Ca -0.50 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.17 2k4z h GLY -8 CO 0.67 0.00 -0.72 -2.27 0.00 0.00 0.00 176.54 174.22 2k4z s LEU -7 N -5.08 3.16 -0.19 3.11 2.96 -1.26 -5.09 118.68 116.28 2k4z s LEU -7 Ca 0.05 -0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 2k4z s LEU -7 Cb 0.10 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 45.07 2k4z s LEU -7 CO 0.70 -0.10 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.82 2k4z s VAL -6 N 1.41 2.74 -0.60 1.68 1.01 -1.26 -5.06 120.40 120.32 2k4z s VAL -6 Ca 0.03 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.03 2k4z s VAL -6 Cb -0.16 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.95 2k4z s VAL -6 CO -0.03 0.48 2.25 -2.84 0.00 0.00 0.00 175.10 174.96 2k4z s PRO -5 N 1.29 2.17 0.51 2.72 0.02 -1.26 -4.94 135.00 135.51 2k4z s PRO -5 Ca 0.04 0.95 -0.20 0.00 0.02 0.00 0.00 61.00 61.81 2k4z s PRO -5 Cb -0.14 -4.61 -0.07 0.00 0.02 0.00 0.00 34.50 29.70 2k4z s PRO -5 CO -0.07 -3.36 1.07 1.03 -0.33 0.00 0.00 177.00 175.34 2k4z s ARG -4 N 8.00 3.62 -0.23 5.54 0.52 -1.26 -3.60 118.95 131.53 2k4z s ARG -4 Ca 0.88 1.42 -0.01 0.00 -0.52 0.00 0.00 55.73 57.50 2k4z s ARG -4 Cb -0.15 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.26 2k4z s ARG -4 CO 0.20 -0.59 0.13 0.41 0.02 0.00 0.00 175.30 175.46 2k4z n GLY -3 N -0.19 0.58 0.00 -3.53 0.00 -1.26 -4.91 105.19 95.88 2k4z n GLY -3 Ca 0.10 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.57 2k4z n GLY -3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k4z n SER -2 N 0.97 0.00 0.12 1.61 7.64 -1.24 -2.06 113.62 120.66 2k4z n SER -2 Ca -0.01 -0.46 0.02 0.00 1.01 0.00 0.00 58.87 59.43 2k4z n SER -2 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2k4z n SER -2 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2k4z h HIS -1 N 0.00 0.00 -2.77 1.43 6.17 -1.92 -3.45 115.15 114.61 2k4z h HIS -1 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 60.37 60.95 2k4z h HIS -1 Cb 0.00 0.00 -0.25 0.00 2.52 0.00 0.00 27.41 29.68 2k4z h HIS -1 CO 0.00 0.51 -0.29 -1.64 0.71 0.00 0.00 177.93 177.22 2k4z s MET 0 N -2.96 0.42 -1.37 5.26 -1.94 -0.87 -5.07 119.30 112.77 2k4z s MET 0 Ca 0.03 0.61 -0.16 0.00 -1.71 0.00 0.00 55.69 54.45 2k4z s MET 0 Cb 0.08 0.13 0.05 0.00 2.01 0.00 0.00 34.83 37.10 2k4z s MET 0 CO 0.76 -0.09 1.97 -1.33 -0.01 0.00 0.00 175.02 176.31 2k4z n MET 1 N 3.35 3.01 -3.67 2.03 0.00 -1.26 -4.82 117.12 115.76 2k4z n MET 1 Ca -0.17 -2.95 -0.28 0.00 0.00 0.00 0.00 57.70 54.30 2k4z n MET 1 Cb 0.56 -3.40 -0.16 0.00 0.00 0.00 0.00 33.22 30.23 2k4z n MET 1 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 2k4z s PHE 2 N 3.85 0.93 -0.63 2.03 5.36 -1.26 -2.05 117.98 126.21 2k4z s PHE 2 Ca 0.51 -1.04 -0.25 0.00 -0.96 0.00 0.00 56.93 55.19 2k4z s PHE 2 Cb 0.09 -1.14 0.05 0.00 -0.34 0.00 0.00 43.02 41.67 2k4z s PHE 2 CO 0.00 -0.73 1.04 0.15 -1.46 0.00 0.00 175.22 174.23 2k4z s LYS 3 N 1.89 3.25 -0.38 10.12 1.02 -0.59 -4.94 119.74 130.10 2k4z s LYS 3 Ca 0.05 -0.40 -0.14 0.00 0.02 0.00 0.00 55.97 55.51 2k4z s LYS 3 Cb -0.17 -4.13 0.01 0.00 -0.52 0.00 0.00 37.83 33.02 2k4z s LYS 3 CO -0.20 -1.75 0.26 -1.17 -0.92 0.00 0.00 175.35 171.57 2k4z s LEU 4 N 4.45 4.87 0.32 3.17 0.20 -1.26 0.35 118.68 130.78 2k4z s LEU 4 Ca 0.30 -0.80 -0.29 0.00 0.69 0.00 0.00 54.13 54.03 2k4z s LEU 4 Cb -0.13 -2.12 -0.10 0.00 -0.43 0.00 0.00 46.19 43.41 2k4z s LEU 4 CO 0.16 -0.38 1.37 0.42 -0.29 0.00 0.00 176.35 177.63 2k4z s THR 5 N 1.66 2.57 0.34 3.68 -4.23 -1.02 -4.82 115.64 113.83 2k4z s THR 5 Ca 0.05 0.56 0.09 0.00 -1.18 0.00 0.00 61.69 61.20 2k4z s THR 5 Cb -0.19 -3.35 0.32 0.00 1.34 0.00 0.00 72.50 70.62 2k4z s THR 5 CO 0.09 0.12 1.84 -0.65 -0.54 0.00 0.00 174.62 175.49 2k4z h PRO 6 N 3.62 0.69 -0.49 3.99 0.11 -1.97 0.15 132.00 138.09 2k4z h PRO 6 Ca -0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2k4z h PRO 6 Cb 1.23 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2k4z h PRO 6 CO 0.67 0.45 0.27 0.00 -0.21 0.00 0.00 178.00 179.18 2k4z h ALA 7 N 1.60 0.63 -0.39 -0.75 0.00 -1.99 -1.38 119.26 116.98 2k4z h ALA 7 Ca 0.49 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.17 2k4z h ALA 7 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k4z h ALA 7 CO -0.25 0.16 -0.30 0.00 0.00 0.00 0.00 179.25 178.86 2k4z h ALA 8 N 1.11 0.71 -0.82 0.00 0.00 -1.49 -2.64 119.26 116.12 2k4z h ALA 8 Ca 0.17 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.72 2k4z h ALA 8 Cb 0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2k4z h ALA 8 CO -0.03 0.66 0.54 0.00 0.00 0.00 0.00 179.25 180.42 2k4z h ALA 9 N 0.92 1.58 -0.18 0.00 0.00 -0.49 0.12 119.26 121.22 2k4z h ALA 9 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2k4z h ALA 9 Cb 0.86 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2k4z h ALA 9 CO 0.08 0.30 0.04 1.49 0.00 0.00 0.00 179.25 181.16 2k4z h GLU 10 N 0.92 0.28 -0.64 0.00 4.57 -1.02 -1.99 114.58 116.71 2k4z h GLU 10 Ca 0.35 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.40 2k4z h GLU 10 Cb 0.19 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 2k4z h GLU 10 CO -0.12 0.42 0.16 0.37 -1.18 0.00 0.00 179.01 178.66 2k4z h GLN 11 N 0.09 1.02 -0.33 1.92 4.15 -0.98 -1.71 115.11 119.27 2k4z h GLN 11 Ca 0.06 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 2k4z h GLN 11 Cb 0.26 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 2k4z h GLN 11 CO 0.00 0.92 0.20 0.28 -1.93 0.00 0.00 178.83 178.30 2k4z h VAL 12 N 0.94 1.11 -0.72 2.39 2.07 -0.75 -0.94 116.25 120.35 2k4z h VAL 12 Ca 0.20 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2k4z h VAL 12 Cb 0.35 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2k4z h VAL 12 CO 0.00 0.11 0.38 -0.07 0.02 0.00 0.00 177.57 178.01 2k4z h LEU 13 N 0.43 0.90 0.23 2.57 3.38 -1.12 0.61 115.31 122.31 2k4z h LEU 13 Ca 0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2k4z h LEU 13 Cb 0.01 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2k4z h LEU 13 CO -0.02 0.74 -0.11 0.50 0.09 0.00 0.00 178.44 179.64 2k4z h LYS 14 N 1.01 -0.29 -0.75 1.13 3.64 -0.95 -2.17 116.57 118.20 2k4z h LYS 14 Ca 0.25 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2k4z h LYS 14 Cb 0.06 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 2k4z h LYS 14 CO -0.04 -0.08 0.41 0.00 -2.27 0.00 0.00 179.45 177.48 2k4z h ALA 15 N 0.27 0.96 -0.53 5.00 0.00 -0.86 0.54 119.26 124.64 2k4z h ALA 15 Ca -0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k4z h ALA 15 Cb 0.35 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2k4z h ALA 15 CO 0.05 0.47 0.33 0.00 0.00 0.00 0.00 179.25 180.10 2k4z h ALA 16 N 1.21 0.67 0.00 0.00 0.00 -0.87 0.16 119.26 120.43 2k4z h ALA 16 Ca 0.26 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2k4z h ALA 16 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2k4z h ALA 16 CO -0.04 0.14 -0.42 -0.22 0.00 0.00 0.00 179.25 178.71 2k4z h LYS 17 N 0.71 0.00 0.00 0.00 3.64 -1.01 0.09 116.57 120.01 2k4z h LYS 17 Ca 0.19 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.30 2k4z h LYS 17 Cb -0.04 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2k4z h LYS 17 CO -0.04 0.42 -1.05 1.96 -2.27 0.00 0.00 179.45 178.47 2k4z h GLN 18 N 0.00 0.70 0.00 1.90 4.20 -0.52 -3.25 115.11 118.15 2k4z h GLN 18 Ca -0.00 -0.76 -0.12 0.00 0.06 0.00 0.00 58.65 57.83 2k4z h GLN 18 Cb 1.14 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 2k4z h GLN 18 CO 0.05 1.33 -0.56 0.78 -0.67 0.00 0.00 178.83 179.76 2k4z h GLY 19 N 0.41 0.00 0.00 3.46 0.00 -0.58 -3.47 103.07 102.89 2k4z h GLY 19 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2k4z h GLY 19 CO 0.21 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.36 2k4z n GLY 20 N 0.38 0.42 1.30 4.60 0.00 -0.09 -4.95 105.19 106.85 2k4z n GLY 20 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 2k4z n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4z n THR 21 N -1.82 1.54 0.27 2.61 -2.24 -0.53 -4.20 114.28 109.91 2k4z n THR 21 Ca 0.00 -0.74 0.15 0.00 -2.27 0.00 0.00 64.05 61.19 2k4z n THR 21 Cb 0.00 -0.50 0.71 0.00 -2.10 0.00 0.00 70.33 68.44 2k4z n THR 21 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2k4z h GLU 22 N 1.47 0.00 -0.01 -0.78 4.11 -1.83 -0.67 114.58 116.88 2k4z h GLU 22 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 2k4z h GLU 22 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2k4z h GLU 22 CO 0.33 0.08 -0.04 0.41 0.07 0.00 0.00 179.01 179.85 2k4z n GLY 23 N -0.23 -0.53 3.33 1.06 0.00 -1.26 -4.74 105.19 102.82 2k4z n GLY 23 Ca -0.00 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 2k4z n GLY 23 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k4z s MET 24 N -2.14 3.42 0.55 1.61 -1.94 -0.26 -4.96 119.30 115.58 2k4z s MET 24 Ca 0.38 -0.60 -0.19 0.00 -1.71 0.00 0.00 55.69 53.56 2k4z s MET 24 Cb 0.21 -3.05 -0.06 0.00 2.01 0.00 0.00 34.83 33.94 2k4z s MET 24 CO 0.39 -0.19 1.14 0.00 -0.01 0.00 0.00 175.02 176.35 2k4z s LEU 26 N -3.80 3.89 -0.17 0.00 2.96 -1.17 -0.46 118.68 119.92 2k4z s LEU 26 Ca 0.73 1.11 -0.08 0.00 -0.22 0.00 0.00 54.13 55.67 2k4z s LEU 26 Cb -0.25 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 2k4z s LEU 26 CO 0.28 -1.01 0.08 -0.60 -1.32 0.00 0.00 176.35 173.78 2k4z s ARG 27 N 3.99 3.88 -0.29 1.98 3.52 0.66 -0.07 118.95 132.61 2k4z s ARG 27 Ca 0.52 -0.29 -0.10 0.00 -0.13 0.00 0.00 55.73 55.72 2k4z s ARG 27 Cb -0.14 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 2k4z s ARG 27 CO 0.21 0.38 0.17 -0.51 -0.81 0.00 0.00 175.30 174.74 2k4z s LEU 28 N 0.08 4.00 -0.27 -0.88 1.43 -1.23 -1.53 118.68 120.29 2k4z s LEU 28 Ca 0.07 -0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 52.93 2k4z s LEU 28 Cb -0.12 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 2k4z s LEU 28 CO 0.00 -0.09 0.06 0.00 0.23 0.00 0.00 176.35 176.56 2k4z s ALA 29 N 1.71 3.08 0.20 4.21 0.00 0.12 -4.86 121.76 126.22 2k4z s ALA 29 Ca 0.06 -1.29 0.09 0.00 0.00 0.00 0.00 51.96 50.83 2k4z s ALA 29 Cb -0.16 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 2k4z s ALA 29 CO 0.09 -0.69 -0.18 0.00 0.00 0.00 0.00 175.76 174.98 2k4z s ALA 30 N 1.55 2.20 -0.25 0.00 0.00 -1.26 -0.11 121.76 123.88 2k4z s ALA 30 Ca 0.05 -1.62 -0.02 0.00 0.00 0.00 0.00 51.96 50.37 2k4z s ALA 30 Cb -0.16 -0.19 0.13 0.00 0.00 0.00 0.00 23.12 22.90 2k4z s ALA 30 CO 0.02 0.22 0.32 0.20 0.00 0.00 0.00 175.76 176.53 2k4z s GLY 31 N -2.99 -0.27 -0.75 0.00 0.00 -0.12 -4.93 107.32 98.26 2k4z s GLY 31 Ca 0.21 0.36 -0.24 0.00 0.00 0.00 0.00 44.72 45.05 2k4z s GLY 31 CO 0.08 2.59 1.15 0.50 0.00 0.00 0.00 173.10 177.43 2k4z s ARG 32 N 2.45 3.22 -0.03 2.90 0.52 -1.26 -0.28 118.95 126.48 2k4z s ARG 32 Ca 0.10 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.33 2k4z s ARG 32 Cb -0.15 -4.37 -0.03 0.00 0.52 0.00 0.00 34.95 30.92 2k4z s ARG 32 CO -0.21 -1.99 1.05 -0.80 0.02 0.00 0.00 175.30 173.37 2k4z s ASN 33 N 3.83 7.25 -0.26 0.23 0.01 0.63 -4.93 114.94 121.70 2k4z s ASN 33 Ca 0.31 1.70 -0.33 0.00 -0.71 0.00 0.00 52.86 53.83 2k4z s ASN 33 Cb -0.11 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 38.90 2k4z s ASN 33 CO 0.09 -0.38 2.15 -2.65 -1.51 0.00 0.00 177.10 174.80 2k4z n PRO 34 N 4.36 1.56 -1.80 -0.60 -0.02 -1.26 -0.67 135.00 136.56 2k4z n PRO 34 Ca 0.08 0.45 -0.18 0.00 -2.02 0.00 0.00 63.50 61.83 2k4z n PRO 34 Cb 0.49 -2.77 -0.06 0.00 -0.02 0.00 0.00 33.50 31.15 2k4z n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2k4z n ASP 35 N 10.03 -5.25 0.00 2.55 8.00 -1.26 -4.89 116.55 125.72 2k4z n ASP 35 Ca 0.34 0.30 0.00 0.00 0.71 0.00 0.00 54.79 56.14 2k4z n ASP 35 Cb 0.32 -4.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.06 2k4z n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k4z n GLY 36 N -0.81 1.91 3.46 0.44 0.00 0.15 -5.17 105.19 105.16 2k4z n GLY 36 Ca -0.20 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 2k4z n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k4z n SER 37 N 0.00 1.96 -4.12 1.61 3.41 -1.25 -4.91 113.62 110.33 2k4z n SER 37 Ca 0.00 -3.20 -0.33 0.00 -0.26 0.00 0.00 58.87 55.08 2k4z n SER 37 Cb 0.00 0.81 -0.15 0.00 -0.26 0.00 0.00 64.21 64.61 2k4z n SER 37 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2k4z s ILE 38 N -3.01 2.28 -0.00 -1.33 1.01 -1.26 -0.27 121.20 118.63 2k4z s ILE 38 Ca 0.14 -1.24 -0.18 0.00 0.00 0.00 0.00 60.65 59.36 2k4z s ILE 38 Cb 0.01 -2.16 -0.06 0.00 0.01 0.00 0.00 42.46 40.26 2k4z s ILE 38 CO 0.10 0.24 0.53 -1.81 0.00 0.00 0.00 174.94 173.99 2k4z s ASP 39 N 1.22 6.91 -0.21 3.58 1.01 0.62 -4.90 116.67 124.91 2k4z s ASP 39 Ca -0.02 1.08 0.01 0.00 0.71 0.00 0.00 52.55 54.34 2k4z s ASP 39 Cb -0.17 -2.32 0.04 0.00 1.01 0.00 0.00 42.92 41.48 2k4z s ASP 39 CO -0.08 0.18 -0.12 -0.31 0.21 0.00 0.00 175.17 175.05 2k4z s TYR 40 N -0.50 2.66 -0.21 4.23 2.02 -1.26 -0.95 117.35 123.34 2k4z s TYR 40 Ca 0.28 -1.76 -0.01 0.00 -0.37 0.00 0.00 57.07 55.21 2k4z s TYR 40 Cb -0.18 -1.75 0.06 0.00 -0.40 0.00 0.00 41.96 39.69 2k4z s TYR 40 CO 0.16 -0.78 -0.01 0.50 -1.57 0.00 0.00 175.55 173.84 2k4z s ARG 41 N 1.31 1.16 -0.23 -0.62 3.52 0.84 -5.03 118.95 119.91 2k4z s ARG 41 Ca -0.02 -0.69 -0.07 0.00 -0.13 0.00 0.00 55.73 54.82 2k4z s ARG 41 Cb -0.16 -2.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.87 2k4z s ARG 41 CO -0.08 -0.61 0.04 -1.64 -0.81 0.00 0.00 175.30 172.21 2k4z s MET 42 N 1.63 3.66 -0.05 5.12 -1.94 -1.26 0.11 119.30 126.57 2k4z s MET 42 Ca -0.03 -0.48 -0.07 0.00 -1.71 0.00 0.00 55.69 53.40 2k4z s MET 42 Cb -0.18 -3.23 0.01 0.00 2.01 0.00 0.00 34.83 33.45 2k4z s MET 42 CO -0.07 -0.08 0.17 0.20 -0.01 0.00 0.00 175.02 175.23 2k4z s GLY 43 N 1.31 -0.09 -0.05 -0.03 0.00 -0.58 -5.00 107.32 102.88 2k4z s GLY 43 Ca 0.05 0.33 -0.30 0.00 0.00 0.00 0.00 44.72 44.80 2k4z s GLY 43 CO 0.03 0.24 1.25 -1.36 0.00 0.00 0.00 173.10 173.25 2k4z s PHE 44 N -0.35 3.10 0.10 1.90 0.08 -1.26 -0.25 117.98 121.31 2k4z s PHE 44 Ca -0.04 1.12 0.02 0.00 0.12 0.00 0.00 56.93 58.14 2k4z s PHE 44 Cb -0.03 -3.48 -0.01 0.00 -0.57 0.00 0.00 43.02 38.93 2k4z s PHE 44 CO 0.01 -1.58 0.06 -3.47 -0.10 0.00 0.00 175.22 170.14 2k4z n ASP 45 N 5.28 0.28 -4.77 1.36 -0.08 0.39 -4.89 116.55 114.12 2k4z n ASP 45 Ca 0.11 -1.61 -0.39 0.00 -1.51 0.00 0.00 54.79 51.39 2k4z n ASP 45 Cb 0.46 0.40 -0.06 0.00 2.34 0.00 0.00 41.12 44.26 2k4z n ASP 45 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2k4z s ASP 46 N -1.67 7.18 -0.45 1.67 1.01 -1.26 -2.54 116.67 120.61 2k4z s ASP 46 Ca 0.09 1.41 -0.26 0.00 0.71 0.00 0.00 52.55 54.50 2k4z s ASP 46 Cb 0.00 -2.43 0.03 0.00 1.01 0.00 0.00 42.92 41.53 2k4z s ASP 46 CO 0.06 0.14 0.95 -0.22 0.21 0.00 0.00 175.17 176.31 2k4z s LEU 47 N -0.61 3.97 0.21 1.23 0.20 -1.26 -4.94 118.68 117.48 2k4z s LEU 47 Ca 0.34 0.19 -0.04 0.00 0.69 0.00 0.00 54.13 55.31 2k4z s LEU 47 Cb -0.21 -3.24 -0.05 0.00 -0.43 0.00 0.00 46.19 42.26 2k4z s LEU 47 CO 0.22 -1.05 0.45 0.42 -0.29 0.00 0.00 176.35 176.10 2k4z s THR 48 N 3.80 5.10 -1.91 3.68 -4.23 -1.26 -5.00 115.64 115.83 2k4z s THR 48 Ca 0.38 -0.01 0.30 0.00 -1.18 0.00 0.00 61.69 61.18 2k4z s THR 48 Cb -0.10 -3.68 0.66 0.00 1.34 0.00 0.00 72.50 70.72 2k4z s THR 48 CO 0.26 -0.14 2.01 -0.62 -0.54 0.00 0.00 174.62 175.59 2k4z n GLU 49 N -0.45 0.95 0.10 3.99 1.02 -1.26 -2.70 120.64 122.29 2k4z n GLU 49 Ca -0.02 -0.24 0.12 0.00 -0.02 0.00 0.00 57.16 56.99 2k4z n GLU 49 Cb 0.53 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.50 2k4z n GLU 49 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2k4z h ASP 50 N 0.59 0.00 -3.91 1.62 3.32 -1.99 -3.46 116.42 112.58 2k4z h ASP 50 Ca 0.00 -0.06 -0.50 0.00 0.02 0.00 0.00 57.03 56.49 2k4z h ASP 50 Cb 0.23 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.82 2k4z h ASP 50 CO 0.00 0.03 0.48 -1.81 -1.72 0.00 0.00 179.24 176.21 2k4z s ASP 51 N -5.12 6.80 -0.10 6.45 1.11 -1.10 -4.57 116.67 120.13 2k4z s ASP 51 Ca 0.01 2.25 -0.30 0.00 0.18 0.00 0.00 52.55 54.70 2k4z s ASP 51 Cb 0.10 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.47 2k4z s ASP 51 CO 0.77 -0.48 1.06 -0.63 1.18 0.00 0.00 175.17 177.08 2k4z s ILE 52 N -1.40 4.63 -0.43 0.77 1.01 0.53 -4.72 121.20 121.59 2k4z s ILE 52 Ca 0.54 1.92 -0.26 0.00 0.00 0.00 0.00 60.65 62.84 2k4z s ILE 52 Cb -0.29 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 37.97 2k4z s ILE 52 CO 0.37 -0.01 0.96 -0.13 0.00 0.00 0.00 174.94 176.12 2k4z s ARG 53 N 2.18 3.66 -0.51 2.79 0.52 -1.26 -0.87 118.95 125.46 2k4z s ARG 53 Ca 0.50 0.35 -0.13 0.00 -0.52 0.00 0.00 55.73 55.93 2k4z s ARG 53 Cb -0.20 -3.88 0.12 0.00 0.52 0.00 0.00 34.95 31.51 2k4z s ARG 53 CO 0.18 -1.16 0.43 -1.17 0.02 0.00 0.00 175.30 173.60 2k4z s LEU 54 N 3.76 5.95 -0.33 2.53 2.96 0.19 -4.93 118.68 128.81 2k4z s LEU 54 Ca 0.39 -1.80 -0.13 0.00 -0.22 0.00 0.00 54.13 52.37 2k4z s LEU 54 Cb -0.10 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 2k4z s LEU 54 CO 0.25 -0.78 0.26 -0.89 -1.32 0.00 0.00 176.35 173.87 2k4z s THR 55 N 1.51 5.27 0.00 3.68 2.01 -1.26 -0.23 115.64 126.61 2k4z s THR 55 Ca 0.04 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.96 2k4z s THR 55 Cb -0.28 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.53 2k4z s THR 55 CO 0.02 0.02 0.00 -1.54 -0.69 0.00 0.00 174.62 172.43 2k4z n SER 56 N 5.16 0.00 0.00 3.53 3.41 -0.14 -4.70 113.62 120.88 2k4z n SER 56 Ca -0.12 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.63 2k4z n SER 56 Cb 0.50 0.00 0.79 0.00 -0.26 0.00 0.00 64.21 65.24 2k4z n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k4z n GLU 57 N 0.00 0.72 0.01 4.33 1.02 -1.26 -4.50 120.64 120.96 2k4z n GLU 57 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2k4z n GLU 57 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2k4z n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k4z n GLY 58 N 0.83 -0.57 3.80 0.62 0.00 -1.26 -5.12 105.19 103.49 2k4z n GLY 58 Ca 0.18 0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 2k4z n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4z s VAL 59 N -2.00 5.19 -0.16 1.61 1.01 -1.26 -5.04 120.40 119.74 2k4z s VAL 59 Ca 0.00 0.68 -0.08 0.00 0.00 0.00 0.00 61.98 62.59 2k4z s VAL 59 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2k4z s VAL 59 CO 0.00 0.51 0.10 -0.70 0.00 0.00 0.00 175.10 175.01 2k4z s GLU 60 N -0.47 3.82 -0.05 2.72 2.12 -1.26 -0.96 118.70 124.61 2k4z s GLU 60 Ca 0.21 -0.25 0.06 0.00 0.36 0.00 0.00 54.97 55.35 2k4z s GLU 60 Cb -0.15 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 30.99 2k4z s GLU 60 CO 0.09 0.45 -0.25 0.42 -0.54 0.00 0.00 175.26 175.43 2k4z s ILE 61 N -0.11 2.03 -0.26 -3.70 1.01 0.68 -3.04 121.20 117.81 2k4z s ILE 61 Ca 0.09 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 59.61 2k4z s ILE 61 Cb -0.12 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 2k4z s ILE 61 CO 0.01 0.57 0.04 0.68 0.00 0.00 0.00 174.94 176.24 2k4z s VAL 62 N -0.22 3.91 -0.31 2.92 -7.23 0.90 0.55 120.40 120.93 2k4z s VAL 62 Ca -0.02 -0.48 0.03 0.00 -1.81 0.00 0.00 61.98 59.69 2k4z s VAL 62 Cb -0.13 -2.90 0.09 0.00 0.56 0.00 0.00 36.38 33.99 2k4z s VAL 62 CO 0.03 0.25 0.01 -0.63 -0.31 0.00 0.00 175.10 174.45 2k4z s ILE 63 N 1.53 1.95 0.64 -0.62 1.01 -0.04 -3.48 121.20 122.18 2k4z s ILE 63 Ca 0.05 -1.92 -0.18 0.00 0.00 0.00 0.00 60.65 58.60 2k4z s ILE 63 Cb -0.16 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 2k4z s ILE 63 CO 0.01 -0.43 1.22 0.00 0.00 0.00 0.00 174.94 175.74 2k4z s ALA 64 N 1.11 2.42 0.58 9.38 0.00 -1.26 -0.35 121.76 133.64 2k4z s ALA 64 Ca 0.05 1.01 0.29 0.00 0.00 0.00 0.00 51.96 53.31 2k4z s ALA 64 Cb -0.19 -3.47 1.45 0.00 0.00 0.00 0.00 23.12 20.91 2k4z s ALA 64 CO -0.10 -1.41 1.86 -1.35 0.00 0.00 0.00 175.76 174.76 2k4z h PRO 65 N 0.53 0.00 -0.05 0.00 0.11 -1.97 0.17 132.00 130.80 2k4z h PRO 65 Ca -0.50 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2k4z h PRO 65 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 2k4z h PRO 65 CO 0.53 0.00 -0.17 -0.44 -0.21 0.00 0.00 178.00 177.71 2k4z h ASP 66 N 0.00 0.07 0.00 -2.05 5.19 -1.98 -3.01 116.42 114.64 2k4z h ASP 66 Ca 0.28 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.59 2k4z h ASP 66 Cb 1.40 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.87 2k4z h ASP 66 CO -0.00 0.25 -2.08 -1.22 -3.12 0.00 0.00 179.24 173.06 2k4z n TYR 67 N -4.30 0.00 -0.32 4.55 4.01 0.55 -4.44 117.16 117.20 2k4z n TYR 67 Ca -0.02 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.85 2k4z n TYR 67 Cb 0.26 -0.61 0.35 0.00 -0.31 0.00 0.00 39.34 39.03 2k4z n TYR 67 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2k4z h VAL 68 N 0.00 0.75 0.00 -0.72 2.07 -1.27 -0.56 116.25 116.52 2k4z h VAL 68 Ca -0.13 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2k4z h VAL 68 Cb 1.28 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2k4z h VAL 68 CO 0.01 0.13 0.00 -1.54 0.02 0.00 0.00 177.57 176.19 2k4z n SER 69 N -4.66 0.00 0.00 0.57 3.41 -1.25 -2.53 113.62 109.15 2k4z n SER 69 Ca 0.21 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2k4z n SER 69 Cb 0.55 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2k4z n SER 69 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2k4z n LEU 70 N -1.28 1.27 -0.17 1.04 4.77 -0.24 -4.69 117.00 117.71 2k4z n LEU 70 Ca 0.09 -1.27 0.09 0.00 -0.03 0.00 0.00 56.01 54.89 2k4z n LEU 70 Cb 0.14 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.37 2k4z n LEU 70 CO 0.14 0.32 0.52 0.18 -1.33 0.00 0.00 177.39 177.22 2k4z n LEU 71 N -0.29 2.21 -4.81 2.23 4.77 -1.05 -4.73 117.00 115.33 2k4z n LEU 71 Ca 0.00 -3.02 -0.36 0.00 -0.03 0.00 0.00 56.01 52.60 2k4z n LEU 71 Cb 0.30 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 2k4z n LEU 71 CO 0.00 0.75 0.53 1.51 -1.33 0.00 0.00 177.39 178.85 2k4z s ASP 72 N -2.78 7.11 -1.77 -1.43 -4.77 -1.25 -3.92 116.67 107.87 2k4z s ASP 72 Ca 0.30 1.58 0.00 0.00 -3.30 0.00 0.00 52.55 51.14 2k4z s ASP 72 Cb 0.27 -2.48 0.00 0.00 -1.09 0.00 0.00 42.92 39.62 2k4z s ASP 72 CO 0.02 -0.07 0.00 0.00 0.70 0.00 0.00 175.17 175.81 2k4z n GLN 73 N 0.39 -1.18 -3.12 2.11 1.13 -0.87 -4.94 117.38 110.91 2k4z n GLN 73 Ca 0.01 1.09 -0.42 0.00 -1.94 0.00 0.00 57.00 55.74 2k4z n GLN 73 Cb 0.51 -5.30 -0.07 0.00 0.11 0.00 0.00 30.24 25.50 2k4z n GLN 73 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2k4z s THR 74 N -2.61 4.91 -0.23 5.09 2.01 -1.13 -3.99 115.64 119.68 2k4z s THR 74 Ca 0.00 0.65 -0.10 0.00 0.31 0.00 0.00 61.69 62.55 2k4z s THR 74 Cb 0.00 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 2k4z s THR 74 CO 0.00 -0.26 0.14 -0.89 -0.69 0.00 0.00 174.62 172.92 2k4z s THR 75 N 2.66 5.21 -0.25 -0.82 2.01 0.15 -1.54 115.64 123.06 2k4z s THR 75 Ca 0.24 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.32 2k4z s THR 75 Cb -0.15 -3.42 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 2k4z s THR 75 CO 0.14 0.36 0.01 -0.22 -0.69 0.00 0.00 174.62 174.22 2k4z s LEU 76 N 1.04 3.28 0.08 4.42 2.96 0.15 -0.59 118.68 130.02 2k4z s LEU 76 Ca 0.07 -0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 53.42 2k4z s LEU 76 Cb -0.14 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 2k4z s LEU 76 CO 0.04 -0.08 0.16 -0.62 -1.32 0.00 0.00 176.35 174.54 2k4z s ASP 77 N 1.50 0.15 -0.08 3.68 2.15 -1.05 -2.43 116.67 120.58 2k4z s ASP 77 Ca 0.05 -0.64 0.03 0.00 0.43 0.00 0.00 52.55 52.42 2k4z s ASP 77 Cb -0.15 0.31 -0.02 0.00 -0.30 0.00 0.00 42.92 42.76 2k4z s ASP 77 CO -0.00 -0.68 -0.18 -0.72 -0.17 0.00 0.00 175.17 173.41 2k4z s TYR 78 N -3.62 2.63 0.18 -5.34 1.13 -1.26 0.24 117.35 111.31 2k4z s TYR 78 Ca 0.03 -0.53 0.00 0.00 -1.41 0.00 0.00 57.07 55.16 2k4z s TYR 78 Cb 0.04 -1.68 -0.04 0.00 -1.10 0.00 0.00 41.96 39.17 2k4z s TYR 78 CO -0.10 -0.09 0.07 0.14 -2.51 0.00 0.00 175.55 173.06 2k4z s VAL 79 N -0.17 0.29 -0.55 -3.49 -7.23 -0.19 -4.91 120.40 104.14 2k4z s VAL 79 Ca -0.02 -1.97 -0.22 0.00 -1.81 0.00 0.00 61.98 57.97 2k4z s VAL 79 Cb -0.14 -2.30 0.05 0.00 0.56 0.00 0.00 36.38 34.56 2k4z s VAL 79 CO 0.03 -0.25 0.81 -0.70 -0.31 0.00 0.00 175.10 174.68 2k4z s GLU 80 N -4.05 3.21 -0.12 4.82 2.12 -1.26 0.05 118.70 123.47 2k4z s GLU 80 Ca 0.31 -0.62 -0.13 0.00 0.36 0.00 0.00 54.97 54.88 2k4z s GLU 80 Cb 0.07 -4.10 -0.26 0.00 0.26 0.00 0.00 34.13 30.10 2k4z s GLU 80 CO 0.07 -1.42 0.44 -0.07 -0.54 0.00 0.00 175.26 173.74 2k4z h LEU 81 N 10.47 0.34 -9.26 2.70 3.38 -1.84 -3.47 115.31 117.63 2k4z h LEU 81 Ca -0.27 -0.84 -0.65 0.00 0.09 0.00 0.00 57.88 56.21 2k4z h LEU 81 Cb 1.08 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.57 2k4z h LEU 81 CO 1.05 1.69 -0.74 -1.61 0.09 0.00 0.00 178.44 178.92 2k4z s GLU 82 N -2.49 2.04 -0.44 1.13 8.01 -1.20 -5.04 118.70 120.71 2k4z s GLU 82 Ca -0.22 -1.16 -0.31 0.00 0.01 0.00 0.00 54.97 53.29 2k4z s GLU 82 Cb 0.05 -2.21 -0.10 0.00 -4.31 0.00 0.00 34.13 27.56 2k4z s GLU 82 CO 0.74 0.47 2.31 -0.35 0.01 0.00 0.00 175.26 178.45 2k4z n PRO 83 N 0.42 1.09 -0.52 0.39 -0.04 -1.26 -0.50 135.00 134.58 2k4z n PRO 83 Ca -0.13 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2k4z n PRO 83 Cb 0.54 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 2k4z n PRO 83 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4z n GLY 84 N 6.29 0.74 2.89 0.55 0.00 -1.26 -5.04 105.19 109.36 2k4z n GLY 84 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 2k4z n GLY 84 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k4z s GLN 85 N -0.48 1.41 -0.04 1.61 -0.21 0.34 -5.12 119.66 117.18 2k4z s GLN 85 Ca 0.00 -0.71 -0.17 0.00 0.02 0.00 0.00 55.36 54.50 2k4z s GLN 85 Cb 0.00 -2.29 -0.05 0.00 1.00 0.00 0.00 33.01 31.67 2k4z s GLN 85 CO 0.00 -0.54 0.46 -0.06 -2.12 0.00 0.00 175.29 173.04 2k4z s PHE 86 N 1.56 3.64 0.06 0.91 0.08 -1.26 -2.54 117.98 120.43 2k4z s PHE 86 Ca -0.02 0.99 0.06 0.00 0.12 0.00 0.00 56.93 58.08 2k4z s PHE 86 Cb -0.17 -2.44 -0.03 0.00 -0.57 0.00 0.00 43.02 39.81 2k4z s PHE 86 CO -0.07 0.42 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.29 2k4z s HIS 87 N -0.32 1.51 -0.13 0.36 3.76 0.11 -4.92 115.29 115.66 2k4z s HIS 87 Ca 0.25 -0.39 -0.28 0.00 -0.15 0.00 0.00 55.06 54.50 2k4z s HIS 87 Cb -0.16 -0.87 -0.01 0.00 1.11 0.00 0.00 32.58 32.64 2k4z s HIS 87 CO 0.13 0.09 0.94 -0.06 -0.85 0.00 0.00 174.74 174.99 2k4z s PHE 88 N -0.97 3.48 0.04 1.40 0.08 -1.26 -1.02 117.98 119.74 2k4z s PHE 88 Ca 0.04 1.48 0.03 0.00 0.12 0.00 0.00 56.93 58.59 2k4z s PHE 88 Cb -0.09 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.20 2k4z s PHE 88 CO 0.02 -0.22 -0.01 0.96 -0.10 0.00 0.00 175.22 175.87 2k4z s ILE 89 N 2.03 4.05 -0.40 0.64 -4.36 0.14 -4.96 121.20 118.34 2k4z s ILE 89 Ca 0.45 -0.79 -0.04 0.00 -0.26 0.00 0.00 60.65 60.01 2k4z s ILE 89 Cb -0.18 -2.85 0.10 0.00 1.25 0.00 0.00 42.46 40.78 2k4z s ILE 89 CO 0.16 0.27 0.18 -0.36 0.24 0.00 0.00 174.94 175.43 2k4z s PHE 90 N -1.18 3.50 -0.22 1.37 0.40 -1.26 -2.54 117.98 118.06 2k4z s PHE 90 Ca 0.22 -2.19 -0.11 0.00 -0.60 0.00 0.00 56.93 54.25 2k4z s PHE 90 Cb -0.12 -3.02 -0.05 0.00 0.51 0.00 0.00 43.02 40.34 2k4z s PHE 90 CO 0.13 -0.93 0.18 -0.51 0.70 0.00 0.00 175.22 174.80 2k4z s LEU 91 N 1.20 4.14 -0.06 -0.37 1.43 0.24 -4.87 118.68 120.40 2k4z s LEU 91 Ca 0.05 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2k4z s LEU 91 Cb -0.22 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 43.86 2k4z s LEU 91 CO -0.03 0.08 -0.06 0.54 0.23 0.00 0.00 176.35 177.11 2k4z s ASN 92 N 0.89 1.40 0.08 2.29 2.20 -1.26 0.30 114.94 120.84 2k4z s ASN 92 Ca 0.09 -0.18 0.26 0.00 -0.94 0.00 0.00 52.86 52.09 2k4z s ASN 92 Cb -0.13 -0.58 0.74 0.00 -2.00 0.00 0.00 41.25 39.28 2k4z s ASN 92 CO 0.03 -0.07 1.62 -0.81 -2.94 0.00 0.00 177.10 174.94 2k4z n PRO 93 N 4.31 0.14 0.01 3.55 -0.04 -1.26 -2.83 135.00 138.89 2k4z n PRO 93 Ca -0.20 0.08 -0.18 0.00 -0.04 0.00 0.00 63.50 63.16 2k4z n PRO 93 Cb 0.51 -1.63 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 2k4z n PRO 93 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2k4z h ARG 94 N 0.00 0.50 -6.65 0.54 2.43 -1.93 -3.44 114.38 105.84 2k4z h ARG 94 Ca 0.00 -0.54 -0.45 0.00 -0.81 0.00 0.00 59.98 58.19 2k4z h ARG 94 Cb 0.62 0.15 0.03 0.00 -0.42 0.00 0.00 29.97 30.35 2k4z h ARG 94 CO 0.00 1.17 -0.14 -0.51 -1.51 0.00 0.00 179.97 178.99 2k4z s ASP 95 N -6.91 5.72 0.00 -3.80 1.01 -1.26 -4.95 116.67 106.48 2k4z s ASP 95 Ca -0.12 0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.23 2k4z s ASP 95 Cb 0.04 -1.27 0.00 0.00 1.01 0.00 0.00 42.92 42.70 2k4z s ASP 95 CO 0.85 -0.76 0.26 -2.65 0.21 0.00 0.00 175.17 173.09 2k4z n PRO 96 N -2.05 0.30 0.10 8.23 -0.02 -1.26 -3.29 135.00 137.01 2k4z n PRO 96 Ca 0.03 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.30 2k4z n PRO 96 Cb 0.58 -1.30 -0.13 0.00 -0.02 0.00 0.00 33.50 32.64 2k4z n PRO 96 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2k4z h THR 97 N 0.52 1.32 0.03 3.45 2.02 -1.91 -3.36 112.91 114.97 2k4z h THR 97 Ca 0.00 -2.57 -0.35 0.00 0.77 0.00 0.00 66.41 64.27 2k4z h THR 97 Cb 0.26 2.75 -0.05 0.00 -1.74 0.00 0.00 68.15 69.37 2k4z h THR 97 CO 0.00 0.77 -2.09 -1.22 0.37 0.00 0.00 175.52 173.36 2k4z n TYR 98 N -3.75 0.61 -1.02 3.16 4.01 -1.13 -4.93 117.16 114.12 2k4z n TYR 98 Ca -0.13 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2k4z n TYR 98 Cb 1.00 -1.10 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 2k4z n TYR 98 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2k4z n ARG 99 N -3.09 -1.56 -2.33 -0.72 0.63 -1.26 -4.94 116.66 103.39 2k4z n ARG 99 Ca -0.29 1.47 -0.43 0.00 -0.92 0.00 0.00 57.85 57.68 2k4z n ARG 99 Cb 1.07 -1.29 -0.02 0.00 0.45 0.00 0.00 32.46 32.67 2k4z n ARG 99 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2k4z s PRO 100 N -2.20 4.22 0.47 -0.14 0.04 -1.26 -5.01 135.00 131.11 2k4z s PRO 100 Ca 0.00 1.78 -0.22 0.00 0.04 0.00 0.00 61.00 62.60 2k4z s PRO 100 Cb 0.00 -3.81 -0.07 0.00 0.04 0.00 0.00 34.50 30.66 2k4z s PRO 100 CO 0.00 -0.73 1.14 -2.14 0.04 0.00 0.00 177.00 175.31 2k4z s PRO 101 N 3.58 3.73 0.31 0.56 0.02 -1.26 -5.05 135.00 136.90 2k4z s PRO 101 Ca 0.59 1.70 0.06 0.00 0.02 0.00 0.00 61.00 63.37 2k4z s PRO 101 Cb -0.24 -2.34 -0.02 0.00 0.02 0.00 0.00 34.50 31.92 2k4z s PRO 101 CO 0.18 -0.56 0.45 -1.12 -0.33 0.00 0.00 177.00 175.62 2k4z s SER 102 N -1.47 6.07 0.00 2.53 0.01 -1.26 -5.13 113.70 114.45 2k4z s SER 102 Ca 0.65 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2k4z s SER 102 Cb -0.27 -1.43 0.00 0.00 0.21 0.00 0.00 66.02 64.53 2k4z s SER 102 CO 0.32 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2k4z n GLY 103 N -1.59 4.93 0.00 3.44 0.00 -1.26 -5.35 105.19 105.36 2k4z n GLY 103 Ca -0.03 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93